[6-(2-methylpiperidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48567
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(c2ncc(cc2)CN)C(C)CCCC1
• Canonical SMILES: NCc1ccc(nc1)N1CCCCC1C
• InChI: InChI=1S/C12H19N3/c1-10-4-2-3-7-15(10)12-6-5-11(8-13)9-14-12/h5-6,9-10H,2-4,7-8,13H2,1H3
• InChIKey: PHOFXXBRPMHMMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(2-Methyl-1-piperidinyl)-3-pyridinyl]-methanamine

Database IDs

• MDL Number: MFCD09043677
• PubChem SID: 162053330
• PubChem CID: 16771381

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1461236
• LogD (pH = 7.4): -0.012481415
• Log P: 1.8507844
• Molar Refractivity: 63.6774 cm^3
• Polarizability: 24.264328 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false